Compound Detail
CHEMBL5288386
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CP(C)(=O)c1ccccc1-c1ccc(N2CC3(CC3)[C@@H](NC(=O)Nc3ccc(Cl)cc3F)C2=O)c(F)c1F
Basic Information
| ChEMBL ID | CHEMBL5288386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPHVSMCTVGYRRO-DEOSSOPVSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
561.9
MW (Da)
5.99
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | EC50 | 9.32 | 9.32 | 0.5 | 3 |
| fMet-Leu-Phe receptor CHEMBL3359 | EC50 | 7.55 | 7.55 | 28.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | EC50 | = | 0.48 | nM | 9.32 | Agonist activity at human FPR2 expressed in CHO cells assessed as cAMP level inc... | 33486199 |
| N-formyl peptide receptor 2 | EC50 | = | 0.48 | nM | 9.32 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| N-formyl peptide receptor 2 | EC50 | = | 0.48 | nM | 9.32 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
| fMet-Leu-Phe receptor | EC50 | = | 28.0 | nM | 7.55 | FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays: A mixture of forskol... | - |
| fMet-Leu-Phe receptor | EC50 | = | 28.0 | nM | 7.55 | Biological Assay: FPR2 and FPR1 Cyclic Adenosine Monophosphate (cAMP) Assays. A ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33486199 | 10.1016/j.ejmech.2021.113167 | N-formyl peptide receptor 2 | 1 |
| 33486199 | 10.1016/j.ejmech.2021.113167 | fMet-Leu-Phe receptor | 1 |
Data from ChEMBL 36 via Core Engine